Information card for entry 4316410

Structure parameters

• Formula: C43.6 H31.9 Cr F9 N7.3 O13 S3
• Calculated formula: C43.6 H31.9 Cr F9 N7.3 O13 S3
• Title of publication: Synthesis and Solution Phase Characterization of Strongly Photooxidizing Heteroleptic Cr(III) Tris-Dipyridyl Complexes
• Authors of publication: Ashley M. McDaniel; Huan-Wei Tseng; Niels H. Damrauer; Matthew P. Shores
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7981 - 7991
• a: 12.6215 ± 0.0007 Å
• b: 13.962 ± 0.0008 Å
• c: 17.2034 ± 0.0015 Å
• α: 99.574 ± 0.004°
• β: 106.338 ± 0.004°
• γ: 115.479 ± 0.002°
• Cell volume: 2477.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No